2-chloranylprop-2-enyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: 2-chloranylprop-2-enyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: 2-chloroallyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid 2-chloroallyl ester Formula: C19H18ClNO3S MolecularWeight: 375.86912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=C)Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=C)Cl)C

InChI

InChI=1S/C19H18ClNO3S/c1-12(2)9-16(22)21-18-17(19(23)24-10-13(3)20)15(11-25-18)14-7-5-4-6-8-14/h4-9,11H,3,10H2,1-2H3,(H,21,22)